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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19FN4O3
Molecular Weight 334.3455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALTEGRAVIR AMINE

SMILES

CN1C(=O)C(O)=C(N=C1C(C)(C)N)C(=O)NCC2=CC=C(F)C=C2

InChI

InChIKey=AQLZTHZLYFFVIJ-UHFFFAOYSA-N
InChI=1S/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)

HIDE SMILES / InChI
Molecular Formula C16H19FN4O3
Molecular Weight 334.3455
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:56 UTC 2023
Edited
by admin
on Fri Dec 15 15:37:56 UTC 2023
Record UNII
5U1A5S652K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RALTEGRAVIR AMINE
Common Name English
RALTEGRAVIR IMPURITY, RALTEGRAVIR AMINE [USP IMPURITY]
Common Name English
DES(5-METHYL-1,3,4-OXADIAZOLE-2-CARBONYL)RALTEGRAVIR
Common Name English
RALTEGRAVIR IMPURITY A [EP IMPURITY]
Common Name English
2-(1-AMINO-1-METHYL-ETHYL)-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID 4-FLUORO-BENZYLAMIDE
Systematic Name English
2-(1-AMINO-1-METHYLETHYL)-N-(4-FLUOROBENZYL)-5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE
Systematic Name English
2-(2-AMINOPROPAN-2-YL)-N-((4-FLUOROPHENYL)METHYL)-5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE
Systematic Name English
4-PYRIMIDINECARBOXAMIDE, 2-(1-AMINO-1-METHYLETHYL)-N-((4-FLUOROPHENYL)METHYL)-1,6-DIHYDRO-5-HYDROXY-1-METHYL-6-OXO-
Systematic Name English
RALTEGRAVIR POTASSIUM IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
518048-03-8
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID50716265
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
PUBCHEM
54721880
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
FDA UNII
5U1A5S652K
Created by admin on Fri Dec 15 15:37:56 UTC 2023 , Edited by admin on Fri Dec 15 15:37:56 UTC 2023
PRIMARY
Related Record Type Details
Structure of RALTEGRAVIR AMINE MONOHYDRATE
SOLVATE->ANHYDROUS
Structure of RALTEGRAVIR AMINE MONOHYDRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of RALTEGRAVIR
PARENT -> IMPURITY
Structure of RALTEGRAVIR POTASSIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of RALTEGRAVIR POTASSIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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